Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| RDMFT converged energy | -1.150819639700000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372479999999122e-04 | PASS |
| RDMFT highest occupation number | 1.935739518089000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.968957000004657e-05 | PASS |